36 The Industrial Fluid Properties Simulation Challenge

Sunday, November 8, 2015: 3:30 PM - 6:00 PM
255A (Salt Palace Convention Center)

Description:
Contributions describing entries in the Industrial Fluid Properties Simulation Challenge

Sponsor:
Computational Molecular Science and Engineering Forum
Chair:
Jonathan D. Moore Email: jmoore2@dow.com
Co-Chair:
Daniel W. Siderius Email: daniel.siderius@nist.gov


3:30 PM
(36a) The Industrial Fluid Properties Simulation Challenge: A Brief History and Announcement of the 9th Challenge
Jonathan Moore and Timothy Young


3:50 PM
(36b) Incorporating Dispersion Effects in Molecular Dynamics Simulations of Interfaces: Challenges and Solutions
Rolf E. Isele-Holder, Paul Springer, Paolo Bientinesi and Ahmed Ismail


4:10 PM
(36c) Using the interface potential approach to determine oil/water interfacial tensions
Jeffrey R. Errington and Wenjing Guo


4:30 PM
(36d) Gibbs ensemble Monte Carlo simulations for complex interfacial systems
J. Ilja Siepmann


4:50 PM
(36e) Interfacial Properties at Low T and High P: Fundamental Properties of Anti-Agglomerants
Anh Phan, Alberto Striolo, Tai Bui, Pushkala Krishnamurthy and Erick Acosta


5:10 PM
(36f) Molecular-Dynamics-Assisted Molecular-Thermodynamic Framework to Predict the Interfacial Tensions of Non-Ionic Surfactants
Vishnu Sresht and Daniel Blankschtein


5:30 PM
(36g) Phase Behavior, Microstructure, and Interfacial Behavior of Complex Fluids
Walter G. Chapman
See more of this Group/Topical: Computational Molecular Science and Engineering Forum
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